General Information of the Compound
Compound ID
CP0528474
Compound Name
4-{1-ethyl-6-phenoxy-1H-imidazo[4,5-c]pyridin-2-yl}-1,2,5-oxadiazol-3-amine
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Structure
Formula
C16H14N6O2
Molecular Weight
322.328
Canonical SMILES
CCn1c(nc2cnc(Oc3ccccc3)cc12)-c1nonc1N
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InChI
InChI=1S/C16H14N6O2/c1-2-22-12-8-13(23-10-6-4-3-5-7-10)18-9-11(12)19-16(22)14-15(17)21-24-20-14/h3-9H,2H2,1H3,(H2,17,21)
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InChIKey
LTDQKANNSLPXRR-UHFFFAOYSA-N
Physicochemical Property
logP
2.8757
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
104.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 16099843
SID: 24746485
ChEMBL ID
CHEMBL375877
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01184, Rho-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 30 nM
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